SCHEMBL8977276

SCHEMBL8977276

CCCCCCCCCS(=O)(=O)CCCC(=O)OO

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.46
FAAH O00519 4/20 0.46
CES2 O00748 2/20 0.46
DGKA P23743 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 2/20 0.43
NAAA Q02083 2/20 0.42
PAM P19021 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8977124 1.00 CES1 (0.46) CES1FAAHCES2DGKACA2
SCHEMBL179711 1.00 CES1 (0.46) CES1FAAHCES2DGKACA2
SCHEMBL8977140 1.00 CES1 (0.46) CES1FAAHCES2DGKACA2
SCHEMBL9165506 0.93 CES1 (0.46) CES1FAAHCES2DGKACA2
SCHEMBL9162896 0.93 CES1 (0.46) CES1FAAHCES2DGKACA2
SCHEMBL4145774 0.93 CES1 (0.46) CES1FAAHCES2DGKACA2
SCHEMBL9159830 0.93 CES1 (0.46) CES1FAAHCES2DGKACA2
SCHEMBL179777 0.93 CES1 (0.46) CES1FAAHCES2DGKACA2
SCHEMBL9164384 0.85 APEX1 (0.38) CES1FAAHCES2DGKACA2
Hexane SCHEMBL15129396 0.82 DGKA (0.64) CES1CES2DGKALMNANAAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536435-A Process for making peroxyacid containing particles THE PROCTER & GAMBLE COMPANY (US) 1996-07-16 US claimed
EP-0378064-B1 Pourable sulfone peroxycarboxylic acid compositions MONSANTO CO (US) 1995-04-12 EP claimed
US-5004558-A Bleaching detergent composition; storage stabiklity; less dye damage MONSANTO COMPANY (US) 1991-04-02 US claimed
EP-0378064-A1 Pourable sulfone peroxycarboxylic acid compositions MONSANTO COMPANY (US) 1990-07-18 EP claimed
EP-0378064-B1 Pourable sulfone peroxycarboxylic acid compositions MONSANTO CO (US) 1995-04-12 EP disclosed